2-[[3-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-5-carboxy-phenyl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[3-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-5-carboxy-phenyl]carbonylamino]butanedioic acid Openeye Name: 2-[[3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-5-carboxy-benzoyl]amino]butanedioic acid CAS Name: 2-[[[3-[[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-5-carboxyphenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-5-carboxybenzoyl]amino]butanedioic acid Traditional Name: 2-[[3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-5-carboxy-benzoyl]amino]succinic acid Formula: C30H25N7O9 MolecularWeight: 627.561

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)NC(CC(=O)O)C(=O)O)N=C1CC4=NC5=C(N4)C=C(C=C5)C(=O)N

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)NC(CC(=O)O)C(=O)O)N=C1CC4=NC5=C(N4)C=C(C=C5)C(=O)N

InChI

InChI=1S/C30H25N7O9/c1-37-22-10-14(3-5-19(22)35-24(37)12-23-33-18-4-2-13(26(31)40)9-20(18)34-23)27(41)32-17-7-15(6-16(8-17)29(43)44)28(42)36-21(30(45)46)11-25(38)39/h2-10,21H,11-12H2,1H3,(H2,31,40)(H,32,41)(H,33,34)(H,36,42)(H,38,39)(H,43,44)(H,45,46)